SEQ2FUN

BioLiP

PDB CCD ID: LNN
Number of entries in BioLiP: 1
Chemical formula: C14 H12 O3
InChI: InChI=1S/C14H12O3/c15-13-7-6-10(9-14(16)17)8-12(13)11-4-2-1-3-5-11/h1-8,15H,9H2,(H,16,17)
InChIKey: QSTRNCHHKMCZKJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)Cc1ccc(O)c(c1)c2ccccc2
OpenEye OEToolkits 2.0.4c1ccc(cc1)c2cc(ccc2O)CC(=O)O
ACDLabs 12.01c1(ccc(CC(O)=O)cc1c2ccccc2)O
Name:(6-hydroxybiphenyl-3-yl)acetic acid
ChEMBL: CHEMBL3809271
ZINC: ZINC000062720064
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).